SCHEMBL9254497

SCHEMBL9254497

CC(=O)OCOC(=O)CCc1ccc(-c2nc(-c3ccc(C(=N)N)cc3)cn2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.38
F10 P00742 5/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
PRSS1 P07477 2/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
NQO2 P16083 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
PLG P00747 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9253893 0.92 F10 (0.40) F2F10NPC1RAB9AITGB3
SCHEMBL9257073 0.90 F10 (0.39) F2F10NPC1RAB9AITGB3
SCHEMBL9281623 0.90 F10 (0.36) F2F10NPC1RAB9AITGB3
SCHEMBL9253869 0.89 F2 (0.40) F2F10NPC1RAB9AITGB3
SCHEMBL9257434 0.88 NPC1 (0.42) F2F10NPC1RAB9AITGB3
SCHEMBL9259034 0.88 NPC1 (0.42) F2F10NPC1RAB9AITGB3
Hydrochloric Acid SCHEMBL9256062 0.87 NPC1 (0.41) F2F10NPC1RAB9AITGB3
SCHEMBL9288922 0.87 TDP1 (0.43) F2F10NPC1RAB9AITGB3
SCHEMBL9251393 0.84 ITGB3 (0.52) F2F10NPC1RAB9AITGB3
SCHEMBL9258269 0.84 ITGB3 (0.52) F2F10NPC1RAB9AITGB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed